1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid

C15H19NO4S — CID 3740581

IUPAC1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(SCc2ccco2)CCN1C(=O)C1CCC1
InChIInChI=1S/C15H19NO4S/c17-14(10-3-1-4-10)16-7-6-12(13(16)15(18)19)21-9-11-5-2-8-20-11/h2,5,8,10,12-13H,1,3-4,6-7,9H2,(H,18,19)
InChIKeyUWDQPHDIPHSIHG-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.37
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid

1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid (PubChem CID 3740581) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid
PubChem CID3740581
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(SCc2ccco2)CCN1C(=O)C1CCC1
InChIInChI=1S/C15H19NO4S/c17-14(10-3-1-4-10)16-7-6-12(13(16)15(18)19)21-9-11-5-2-8-20-11/h2,5,8,10,12-13H,1,3-4,6-7,9H2,(H,18,19)
InChIKeyUWDQPHDIPHSIHG-UHFFFAOYSA-N
XLogP2.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxylic acid
CID 63098068
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
1-[(2R)-2-ethylpiperidin-1-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
CID 2374328
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
(7R,10aS)-2-(cyclopropanecarbonyl)-9-(furan-2-ylmethyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 97459480
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
[(4aR,8aR)-7-(furan-2-ylmethyl)-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclobutylmethanone
CID 72912623
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970113

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid (CID 3740581) is 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid is O=C(O)C1C(SCc2ccco2)CCN1C(=O)C1CCC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UWDQPHDIPHSIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-14(10-3-1-4-10)16-7-6-12(13(16)15(18)19)21-9-11-5-2-8-20-11/h2,5,8,10,12-13H,1,3-4,6-7,9H2,(H,18,19).
What are the key properties of 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid?
1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-3-(furan-2-ylmethylsulfanyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3740581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).